643272

Source:http://linkedlifedata.com/resource/chembl/compound/643272

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C32H44N2O8/c1-18(2)20(5)29(38)33-31(40)27(37)25(35)26(36)28(32(41)34-30(39)21(6)19(3)4)42-24-16-14-23(15-17-24)13-12-22-10-8-7-9-11-22/h7-11,14-21,25-28,35-37H,12-13H2,1-6H3,(H,33,38,40)(H,34,39,41)/t20-,21-,25+,26+,27+,28+/m0/s1
chemicalCompound:standardIn...	VUPBNIGOBAKZIX-LUQFTUDASA-N
chemicalCompound:canonicalS...	CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
chemicalCompound:molecularF...	C32H44N2O8
chemicalCompound:moleculeId	643272
chemicalCompound:mwFreebase	584.7
chemicalCompound:alogp	4.317
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	162.25
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.679
chemicalCompound:acdLogP	4.413
chemicalCompound:acdLogD	4.413
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	584.7
chemicalCompound:chemblId	CHEMBL1161733
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743272
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1485767, activity:1485768, activity:1485769, activity:1485770, activity:1485771